SCHEMBL16644653

SCHEMBL16644653

CCCCOCCNCC#N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 2/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4622911 0.82 TSHR (0.52) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL5932174 0.80 TSHR (0.50) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL5932556 0.80 TSHR (0.50) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL5933768 0.80 TSHR (0.53) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL10961740 0.80 TSHR (0.53) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL11895324 0.78 TSHR (0.55) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL8979951 0.78 TSHR (0.48) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL442358 0.77
SCHEMBL23560388 0.76 TSHR (0.52) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL22849682 0.76 TSHR (0.52) TSHRCYP3A4ALDH1A1MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827336-B2 Radio-pharmaceutical complexes BAYER AS (NO) 2017-11-28 US disclosed
US-20150147272-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2015-05-28 US disclosed
US-20150110817-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2015-04-23 US disclosed
US-20150104385-A1 RADIO-PHARMACEUTICAL COMPLEXES ALGETA ASA (NO) 2015-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150147272-A1 RADIO-PHARMACEUTICAL COMPLEXES HCAR3, TYRO3, HCAR1 TSHR 55/4885CYP3A4 970/4885ALDH1A1 2139/4885
US-20150104385-A1 RADIO-PHARMACEUTICAL COMPLEXES CD22, HAVCR2, CD2 TSHR 13/4885CYP3A4 1972/4885ALDH1A1 1908/4885
US-20150110817-A1 RADIO-PHARMACEUTICAL COMPLEXES TSPO, TK1, HCAR1 TSHR 64/4885CYP3A4 1781/4885ALDH1A1 2824/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.